(5-fluoropentylamino)thiourea

C6H14FN3S — CID 88665074

IUPAC(5-fluoropentylamino)thiourea
SMILESNC(=S)NNCCCCCF
InChIInChI=1S/C6H14FN3S/c7-4-2-1-3-5-9-10-6(8)11/h9H,1-5H2,(H3,8,10,11)
InChIKeyPOQJDTLBAZYDEC-UHFFFAOYSA-N
MW179.26 g/mol
LogP0.46
Rot. Bonds6

About (5-fluoropentylamino)thiourea

(5-fluoropentylamino)thiourea (PubChem CID 88665074) has the molecular formula C6H14FN3S and a molecular weight of 179.26 g/mol. Its IUPAC name is (5-fluoropentylamino)thiourea.

Molecular Properties

Compound Name(5-fluoropentylamino)thiourea
PubChem CID88665074
Molecular FormulaC6H14FN3S
Molecular Weight179.26 g/mol
Exact Mass179.09
IUPAC Name(5-fluoropentylamino)thiourea
SMILESNC(=S)NNCCCCCF
InChIInChI=1S/C6H14FN3S/c7-4-2-1-3-5-9-10-6(8)11/h9H,1-5H2,(H3,8,10,11)
InChIKeyPOQJDTLBAZYDEC-UHFFFAOYSA-N
XLogP0.46
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-fluoropentylamino)thiourea?
The IUPAC name of (5-fluoropentylamino)thiourea (CID 88665074) is (5-fluoropentylamino)thiourea.
What is the SMILES notation for (5-fluoropentylamino)thiourea?
The canonical SMILES for (5-fluoropentylamino)thiourea is NC(=S)NNCCCCCF.
What is the InChIKey of (5-fluoropentylamino)thiourea?
The InChIKey is POQJDTLBAZYDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FN3S/c7-4-2-1-3-5-9-10-6(8)11/h9H,1-5H2,(H3,8,10,11).
What are the key properties of (5-fluoropentylamino)thiourea?
(5-fluoropentylamino)thiourea has a molecular weight of 179.26 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoropentylamino)thiourea is sourced from PubChem (CID 88665074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).